SCHEMBL11528818

SCHEMBL11528818

CCOC(=O)Cc1ccc2c(c1)CC(CC)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 6/20 0.42
LDHA P00338 1/20 0.41
CYP4Z1 Q86W10 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP19A1 P11511 1/20 0.40
MAPT P10636 2/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
LMNA P02545 1/20 0.38
LIPE Q05469 1/20 0.38
FDFT1 P37268 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8728437 0.88 FFAR1 (0.44) TBXA2RLDHACYP4Z1SMN1; SMN2NPC1
SCHEMBL11527244 0.87 ALDH1A1 (0.47) TBXA2RSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL24650439 0.86 CA1 (0.41) TBXA2RLDHACYP4Z1SMN1; SMN2NPC1
Methane SCHEMBL11531376 0.86 ALDH1A1 (0.46) TBXA2RSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL11527975 0.83 SMN1; SMN2 (0.39) LDHACYP4Z1SMN1; SMN2NPC1PKM
SCHEMBL8728441 0.82 SMN1; SMN2 (0.39) TBXA2RLDHACYP4Z1SMN1; SMN2NPC1
Methane SCHEMBL11529454 0.82 SMN1; SMN2 (0.39) LDHACYP4Z1SMN1; SMN2NPC1PKM
SCHEMBL11533272 0.82 TBXA2R (0.46) TBXA2RNFKB1MAPTLMNA
Methane SCHEMBL11528997 0.81 TBXA2R (0.45) TBXA2RNFKB1MAPTLMNA
Methyl Alcohol SCHEMBL11526388 0.81 TBXA2R (0.45) TBXA2RNFKB1MAPTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4166131-A ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANTIARTHRITIC AGENT HEXACHIMIE SOCIETE ANONYME (FR) 1979-08-28 US disclosed